2025-10-18_00000115|ligand|8YI8

The complex structure of SdnG with product; X-ray diffraction 1.33Å

Protein #1 146 residues (97% resolved)

Raw Sequence ...

MAGKEIQTPDQAEAFVAKVFDVLDSYDYTRFGEVLSTDLKYEGGLQKTSGLDNFINDIKASTQRMPGLQTSHSRYRTELTAEGTIYSEGHSNASLESNPGKVVTVPMIGVFKLDSEDGKIKEMRIYKDRLPFLALHQALPGMKANN

Canonical Sequence ...

MAGKEIQTPDQAEAFVAKVFDVLDSYDYTRFGEVLSTDLKYEGGLQKTSGLDNFINDIKASTQRMPGLQTSHSRYRTELTAEGTIYSEGHSNASLESNPGKVVTVPMIGVFKLDSEDGKIKEMRIYKDRLPFLALHQALPGMKANN

Non polymer #2 A1LZH

InChI=1S/C20H28O3/c1-11(2)16-7-13-8-19(10-21)15-6-5-12(3)14(15)9-18(13,4)20(16,19)17(22)23/h7,10-15H,5-6,8-9H2,1-4H3,(H,22,23)/t12-,13+,14-,15-,18-,19+,20-/m1/s1

InChI=1S/C20H28O3/c1-11(2)16-7-13-8-19(10-21)15-6-5-12(3)14(15)9-18(13,4)20(16,19)17(22)23/h7,10-15H,5-6,8-9H2,1-4H3,(H,22,23)/t12-,13+,14-,15-,18-,19+,20-/m1/s1

SMILES: C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)C

C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)C

Non polymer #3 A1LZK

InChI=1S/C20H28O3/c1-12(2)15-8-9-20(5,18(15)19(22)23)10-17-13(3)6-7-16(17)14(4)11-21/h8-9,11-13,16-17H,4,6-7,10H2,1-3,5H3,(H,22,23)/t13-,16+,17-,20+/m1/s1

InChI=1S/C20H28O3/c1-12(2)15-8-9-20(5,18(15)19(22)23)10-17-13(3)6-7-16(17)14(4)11-21/h8-9,11-13,16-17H,4,6-7,10H2,1-3,5H3,(H,22,23)/t13-,16+,17-,20+/m1/s1

SMILES: C[C@@H]1CC[C@H]([C@@H]1C[C@@]2(C=CC(=C2C(=O)O)C(C)C)C)C(=C)C=O

C[C@@H]1CC[C@H]([C@@H]1C[C@@]2(C=CC(=C2C(=O)O)C(C)C)C)C(=C)C=O

Biounit #1 homo-dimer

Biounit #2 homo-dimer

Reference